3QP9
The Structure of a C2-type Ketoreductase from a Modular Polyketide Synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1159 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 79.636, 150.088, 86.868 |
Unit cell angles | 90.00, 105.12, 90.00 |
Refinement procedure
Resolution | 31.230 - 1.880 |
R-factor | 0.22924 |
Rwork | 0.227 |
R-free | 0.27623 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mjs |
RMSD bond length | 0.023 |
RMSD bond angle | 2.029 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.910 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.064 | 0.688 |
Number of reflections | 137509 | |
<I/σ(I)> | 37 | 2.7 |
Completeness [%] | 91.0 | 86.8 |
Redundancy | 3.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 298 | 33% PEG4000, 0.25 M sodium acetate, 0.1 M Tris-Cl, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |